N-[2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide

Systemtic Name: N-[2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide Openeye Name: N-[2-[1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propanamide CAS Name: N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-3-phenylpropanamide IUPAC Name: N-[2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenylpropanamide Traditional Name: N-[2-[1-(4-methoxy-2,3-dimethyl-benzyl)piperidin-1-ium-4-yl]pyrazol-3-yl]-3-phenyl-propionamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1C)OC)C[NH+]2CCC(CC2)N3C(=CC=N3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C27H34N4O2/c1-20-21(2)25(33-3)11-10-23(20)19-30-17-14-24(15-18-30)31-26(13-16-28-31)29-27(32)12-9-22-7-5-4-6-8-22/h4-8,10-11,13,16,24H,9,12,14-15,17-19H2,1-3H3,(H,29,32)/p+1